methyl 2-(2-acetamidopent-4-enoylamino)acetate

C10H16N2O4 — CID 59638449

IUPACmethyl 2-(2-acetamidopent-4-enoylamino)acetate
SMILESC=CCC(NC(C)=O)C(=O)NCC(=O)OC
InChIInChI=1S/C10H16N2O4/c1-4-5-8(12-7(2)13)10(15)11-6-9(14)16-3/h4,8H,1,5-6H2,2-3H3,(H,11,15)(H,12,13)
InChIKeyPSLRLTPPEBUEIM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.64
Rot. Bonds6

About methyl 2-(2-acetamidopent-4-enoylamino)acetate

methyl 2-(2-acetamidopent-4-enoylamino)acetate (PubChem CID 59638449) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-(2-acetamidopent-4-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-acetamidopent-4-enoylamino)acetate
PubChem CID59638449
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-(2-acetamidopent-4-enoylamino)acetate
SMILESC=CCC(NC(C)=O)C(=O)NCC(=O)OC
InChIInChI=1S/C10H16N2O4/c1-4-5-8(12-7(2)13)10(15)11-6-9(14)16-3/h4,8H,1,5-6H2,2-3H3,(H,11,15)(H,12,13)
InChIKeyPSLRLTPPEBUEIM-UHFFFAOYSA-N
XLogP-0.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamidopent-4-enoylamino)acetate?
The IUPAC name of methyl 2-(2-acetamidopent-4-enoylamino)acetate (CID 59638449) is methyl 2-(2-acetamidopent-4-enoylamino)acetate.
What is the SMILES notation for methyl 2-(2-acetamidopent-4-enoylamino)acetate?
The canonical SMILES for methyl 2-(2-acetamidopent-4-enoylamino)acetate is C=CCC(NC(C)=O)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(2-acetamidopent-4-enoylamino)acetate?
The InChIKey is PSLRLTPPEBUEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-5-8(12-7(2)13)10(15)11-6-9(14)16-3/h4,8H,1,5-6H2,2-3H3,(H,11,15)(H,12,13).
What are the key properties of methyl 2-(2-acetamidopent-4-enoylamino)acetate?
methyl 2-(2-acetamidopent-4-enoylamino)acetate has a molecular weight of 228.25 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamidopent-4-enoylamino)acetate is sourced from PubChem (CID 59638449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).